5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride

C15H17ClFN3O2 — CID 120893573

IUPAC5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccccc1OCc1noc(C2CC23CCNC3)n1
InChIInChI=1S/C15H16FN3O2.ClH/c16-11-3-1-2-4-12(11)20-8-13-18-14(21-19-13)10-7-15(10)5-6-17-9-15;/h1-4,10,17H,5-9H2;1H
InChIKeyMJDYIZHIELYEPD-UHFFFAOYSA-N
MW325.77 g/mol
LogP2.68
Rot. Bonds4

About 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride

5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120893573) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120893573
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCl.Fc1ccccc1OCc1noc(C2CC23CCNC3)n1
InChIInChI=1S/C15H16FN3O2.ClH/c16-11-3-1-2-4-12(11)20-8-13-18-14(21-19-13)10-7-15(10)5-6-17-9-15;/h1-4,10,17H,5-9H2;1H
InChIKeyMJDYIZHIELYEPD-UHFFFAOYSA-N
XLogP2.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-(5-azaspiro[2.4]heptan-2-yl)-3-(2-phenylmethoxyphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120839818
3-[(2-fluorophenoxy)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893547
[(2R,5S)-5-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 120893599
(1S,2S,4R)-2-(aminomethyl)-4-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 154768252
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893605
5-(5-azaspiro[2.4]heptan-2-yl)-3-[6-(4-fluorophenoxy)-3-pyridinyl]-1,2,4-oxadiazole;hydrochloride
CID 120840549
[1-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine;hydrochloride
CID 120893497
2-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]-N-(4-methylphenyl)acetamide;hydrochloride
CID 120835324
5-(5-azaspiro[2.4]heptan-2-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 120837141
1-[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 120893585
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986

Frequently Asked Questions

What is the IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride (CID 120893573) is 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride is Cl.Fc1ccccc1OCc1noc(C2CC23CCNC3)n1.
What is the InChIKey of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is MJDYIZHIELYEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2.ClH/c16-11-3-1-2-4-12(11)20-8-13-18-14(21-19-13)10-7-15(10)5-6-17-9-15;/h1-4,10,17H,5-9H2;1H.
What are the key properties of 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride?
5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 325.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-azaspiro[2.4]heptan-2-yl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120893573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).